iterations/neb0_image04_iter182_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.363504999749E+03 0.36350E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.931457235951E+00 -0.36257E+03 -0.34973E+03 863 0.193E+02
DAV: 3 -0.959834007529E+02 -0.96915E+02 -0.96616E+02 661 0.115E+02
DAV: 4 -0.100263298284E+03 -0.42799E+01 -0.42698E+01 696 0.280E+01
DAV: 5 -0.100344779752E+03 -0.81481E-01 -0.81449E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916350649384E+02 0.87097E+01 -0.31017E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.907706556396E+02 0.86441E+00 -0.17815E+00 696 0.630E+00 0.483E+00
DAV: 8 -0.903620901594E+02 0.40857E+00 -0.56454E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.902690137951E+02 0.93076E-01 -0.12344E-01 712 0.200E+00 0.498E-01
DAV: 10 -0.902583891113E+02 0.10625E-01 -0.32623E-02 720 0.917E-01 0.348E-01
DAV: 11 -0.902604839139E+02 -0.20948E-02 -0.12827E-02 680 0.779E-01 0.275E-01
DAV: 12 -0.902617728121E+02 -0.12889E-02 -0.38307E-03 752 0.603E-01 0.120E-01
DAV: 13 -0.902661969067E+02 -0.44241E-02 -0.34650E-03 628 0.319E-01 0.993E-02
DAV: 14 -0.902696782927E+02 -0.34814E-02 -0.77790E-04 640 0.163E-01 0.482E-02
DAV: 15 -0.902729766946E+02 -0.32984E-02 -0.73668E-04 666 0.145E-01 0.333E-02
DAV: 16 -0.902748397220E+02 -0.18630E-02 -0.22014E-04 712 0.104E-01 0.188E-02
DAV: 17 -0.902761318135E+02 -0.12921E-02 -0.20740E-04 655 0.646E-02 0.201E-02
DAV: 18 -0.902764260850E+02 -0.29427E-03 -0.54220E-05 680 0.559E-02 0.887E-03
DAV: 19 -0.902767145351E+02 -0.28845E-03 -0.77890E-05 630 0.445E-02 0.153E-02
DAV: 20 -0.902767301389E+02 -0.15604E-04 -0.34588E-06 536 0.193E-02 0.110E-02
DAV: 21 -0.902768055195E+02 -0.75381E-04 -0.56089E-05 604 0.474E-02 0.874E-03
DAV: 22 -0.902768274706E+02 -0.21951E-04 -0.62644E-06 472 0.206E-02 0.593E-03
DAV: 23 -0.902768324214E+02 -0.49508E-05 -0.27248E-06 528 0.820E-03
1 F= -.90276832E+02 E0= -.90285377E+02 d E =0.256335E-01